N-(9H-fluoren-9-yl)-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide

• ChemBase ID: 653195
• Molecular Formular: C23H27N3O2
• Molecular Mass: 377.47938
• Monoisotopic Mass: 377.21032712
• SMILES: C1(c2c(c3c1cccc3)cccc2)NC(=O)CC1N(CC(C)C)CCNC1=O
• Canonical SMILES: CC(CN1CCNC(=O)C1CC(=O)NC1c2ccccc2c2c1cccc2)C
• InChI: InChI=1S/C23H27N3O2/c1-15(2)14-26-12-11-24-23(28)20(26)13-21(27)25-22-18-9-5-3-7-16(18)17-8-4-6-10-19(17)22/h3-10,15,20,22H,11-14H2,1-2H3,(H,24,28)(H,25,27)
• InChIKey: ZZYYVDWNEIINFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(9H-fluoren-9-yl)-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
• IUPAC Traditional name: N-(9H-fluoren-9-yl)-2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]acetamide
• Synonyms: N-9H-fluoren-9-yl-2-(1-isobutyl-3-oxo-2-piperazinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.477713
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8660925
• LogD (pH = 7.4): 2.4210896
• Log P: 2.6840432
• Molar Refractivity: 109.7886 cm^3
• Polarizability: 44.033794 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.95
• LOG S: -2.73
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 4